SCHEMBL7338032

SCHEMBL7338032

Nc1c(OCCN(Cc2cccs2)C(=O)C(F)(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
KCNH2 Q12809 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM8 Q7Z2W7 8/20 0.38
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7338597 0.87 KCNH2 (0.38) LMNATP53KCNH2HTTALDH1A1
SCHEMBL7333092 0.86 TRPM8 (0.41) LMNATP53TRPM8POLBMEN1
SCHEMBL7339601 0.84 KCNH2 (0.44) LMNAKCNH2HTTALDH1A1L3MBTL1
SCHEMBL7343282 0.82 KCNH2 (0.39) LMNAKCNH2ALDH1A1L3MBTL1HPGD
SCHEMBL7336464 0.82 KCNH2 (0.45) LMNAKCNH2HTTALDH1A1L3MBTL1
SCHEMBL7336180 0.82 KCNH2 (0.45) LMNATP53KCNH2HTTALDH1A1
SCHEMBL7335763 0.80 KCNH2 (0.43) LMNATP53KCNH2HTTALDH1A1
SCHEMBL7344178 0.80 KCNH2 (0.43) LMNAKCNH2HTTALDH1A1L3MBTL1
SCHEMBL7345118 0.79 KCNH2 (0.50) KCNH2HTTALDH1A1L3MBTL1POLB
SCHEMBL7335864 0.77 TRPM8 (0.39) LMNATP53HTTALDH1A1TRPM8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103744-A ADMINISTERING TO THE PATIENT A DOPAMINE AUTORECEPTOR AGONISTS FOR THE TREATMENT OF SCHIZOPHRENIA, PARKINSON,S DISEASE, TOURETTE,S SYNDROM, ALCOHOLISM AND DRUG ADDICTION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-15 US disclosed
EP-0964853-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-22 EP disclosed
US-5990144-A TREATING PARKINSON'S DISEASE, TOURETTE'S SYNDROME, SCHIZOPHRENIA, AND ALCOHOL AND DRUG ADDICTION; DOPAMINERGIC PROPERTIES; SIDE-EFFECT REDUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-23 US disclosed
WO-1998035946-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed